Molecule

ID:97145

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉F₃O
Molecular Mass
202.1730696
Exact Mass
202.06054957
Charge
0
InChI
InChI=1S/C10H9F3O/c11-10(12,13)9-5-3-8(4-6-9)2-1-7-14/h3-7H,1-2H2
InChIKey
RAJLHYZMTYVILB-UHFFFAOYSA-N
Canonic Smiles
O=CCCc1ccc(cc1)C(F)(F)F
Isomeric Smiles
O=CCCc1ccc(cc1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
17.412857
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.774795
LogD (pH = 7.4)
2.774795
Log P
2.774795
Molar Refractivity
47.0149
Polarizability
17.05876
Polar Surface Area
17.07
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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